The effects of size and shape on the structural and thermal stability of platinum nanoparticles

G Wang and YS Xu and P Qian and YJ Su, COMPUTATIONAL MATERIALS SCIENCE, 169, UNSP 109090 (2019).

DOI: 10.1016/j.commatsci.2019.109090

A new EAM potential was obtained by fitting to the experimental data of bulk N, and the cohesive energy, surface energy, structure evolution during the heating process and melting point of Pt nanoparticles with different shapes and sizes were studied with the EAM potential. According to the calculation results and compared with other models, a model is developed to describe the cohesive energy and melting point as functions of the particle size and average coordination number.

Return to Publications page